| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Ashbrook, Sharon. E.
University of St Andrews
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (15/15 displayed)
- 2024Site-directed cation ordering in chabazite-type AlxGa1–xPO4-34 frameworks revealed by NMR crystallographycitations
- 2024In situ single-crystal X-ray diffraction studies of physisorption and chemisorption of SO2 within a metal-organic framework and its competitive adsorption with watercitations
- 202313C pNMR shifts of MOFs based on Cu(II)-paddlewheel dimers - DFT predictions for spin-½ defectscitations
- 2022Synthesis of FeAPO-34 molecular sieve under ionothermal conditioncitations
- 2019Visualization of the effect of additives on the nanostructures of individual bio-inspired calcite crystalscitations
- 201817O solid-state NMR spectroscopy of A2B2O7 oxidescitations
- 2017A gel aging effect in the synthesis of open-framework gallium phosphatescitations
- 2016Phase composition and disorder in La2(Sn,Ti)2O7 ceramicscitations
- 2015New insights into phase distribution, phase composition and disorder in Y2(Zr,Sn)2O7 ceramics from NMR spectroscopycitations
- 2015Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interactioncitations
- 2013Color and Brightness Tuning in Heteronuclear Lanthanide Terephthalate Coordination Polymerscitations
- 2013Unusual Phase Behavior in the Piezoelectric Perovskite System, LixNa1-xNbO3citations
- 2013Structural study of La1-xYxScO3, combining neutron diffraction, solid-state NMR, and first-principles DFT calculationscitations
- 2011A co-templating route to the synthesis of Cu SAPO STA-7, giving an active catalyst for the selective catalytic reduction of NOcitations
- 2009Multinuclear Magnetic Resonance and DFT Studies of the Poly(chlorotrifluoroethylene-alt-ethyl vinyl ether) Copolymerscitations
Places of action
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article
Multinuclear Magnetic Resonance and DFT Studies of the Poly(chlorotrifluoroethylene-alt-ethyl vinyl ether) Copolymers
Abstract
Chlorotrifluoroethylene (CTFE) and ethyl vinyl ether (EVE) were reacted under radical conditions to produce the poly(CTFE-co-EVE) alternating copolymer, and a full C-13, H-1, and F-19 NMR structural interpretation is offered. All spectra were characterized by broad signals resulting from the overlapping of different chemical shifts. This observation was rationalized by considering a complex mixture of diastereomerically related Compounds, hence allowing an average assignment to be determined. A density functional theory (DFT) Computational study of the isotropic magnetic shieldings with the GIAO and CSGT methods was performed to explore the diasteriomeric relationships between the single building blocks and their mutual influences along the polymer chain. The calculated results totally support the assignment of the experimental chemical shifts of two diasteriomeric sets of resonances indicating chiral center inversion, and not spin-spin J coupling interactions, as the main cause of spectral complexity.